SCHEMBL29802223

SCHEMBL29802223

NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ ACE P12821 11/20 0.44
▸ F10 P00742 2/20 0.43
▸ PLG P00747 2/20 0.43
▸ ST14 Q9Y5Y6 2/20 0.43
▸ TRHR P34981 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ ACE2 Q9BYF1 8/20 0.42
▸ LTA4H P09960 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31409131 0.92 TRHR (0.44) TSHRACETRHRACE2LTA4H
SCHEMBL30274845 0.85 TRHR (0.46) TSHRACETRHRACE2
SCHEMBL31031493 0.84 TRHR (0.42) ACETRHRACE2
SCHEMBL29591738 0.83 TRHR (0.46) TRHR
SCHEMBL29630592 0.83 TRHR (0.46) TRHR
SCHEMBL29630670 0.83 TRHR (0.42) TSHRACETRHRACE2
SCHEMBL11308630 0.83 ACE (0.45) TSHRACETRHRACE2LTA4H
SCHEMBL11308638 0.82 TRHR (0.42) TSHRACETRHR
SCHEMBL29590456 0.82 TRHR (0.41) TSHRACETRHRACE2
SCHEMBL29630369 0.82 TRHR (0.41) TSHRACETRHRACE2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945579-B Heme derivative and preparation method and application thereof 吉林省澳宇生物科技有限公司 2025-01-21 — — CN disclosed
Send feedback